BDBM601079 3-chloro-4-[(2S)-2-(dimethylamino)-3-[(3R)-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamido]propyl]benzamide ::US11634396, Compound 39

SMILES CN(C)[C@H](CNC(=O)C[C@H](c1ccccc1)C1(CC1)C(F)(F)F)Cc1ccc(cc1Cl)C(N)=O

InChI Key InChIKey=KHSFCKWZMIIQNH-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 601079   

TargetMu-type opioid receptor(Human)
Epiodyne

US Patent
LigandPNGBDBM601079(3-chloro-4-[(2S)-2-(dimethylamino)-3-[(3R)-3-pheny...)
Affinity DataIC50: 3.00E+3nMAssay Description:CHO Tag-lite human mOR stable cell line from Cisbio (NCBI accession number: NM_000914.3, Bedford, Mass.) were seeded and grown to approximately 80% c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2023
Entry Details
Go to US Patent

TargetDelta-type opioid receptor(Human)
Epiodyne

US Patent
LigandPNGBDBM601079(3-chloro-4-[(2S)-2-(dimethylamino)-3-[(3R)-3-pheny...)
Affinity DataEC50: <300nMAssay Description:The dOR cAMP agonist and antagonist assays were conducted in a manner similar as described above for the mOR assays using CHO Tag-lite human dOR stab...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2023
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Epiodyne

US Patent
LigandPNGBDBM601079(3-chloro-4-[(2S)-2-(dimethylamino)-3-[(3R)-3-pheny...)
Affinity DataIC50: 3.00E+3nMAssay Description:KOR β-Arrestin Agonist and Antagonist assays were preformed using the Tango OPRK1-bla U2OS cells from Invitrogen and purchased from ThermoFisher...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2023
Entry Details
Go to US Patent